Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020427
PROPERTIES
| NPAID | NPA020427 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 F |
| FORMULA | C71H107N17O27 |
| MOLECULAR WEIGHT (Da) | 1630.7290 |
| ACCURATE MASS (Da) | 1629.7522 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | AOLCXKLFRNFESX-VIPSXSIDSA-N |
| InChI | InChI=1S/C71H107N17O27/c1-33(2)17-11-9-10-12-21-47(90)78-43(27-37-30-75-39-19-14-13-18-38(37)39)64(105)81-42(23-25-51(95)96)63(104)86-55(57(99)59(74)100)68(109)85-54-36(6)115-71(113)53(34(3)4)84-62(103)41(22-24-50(93)94)82-65(106)44(28-46(73)89)79-48(91)31-76-67(108)56(58(114-8)70(111)112)87-61(102)40(20-15-16-26-72)80-66(107)45(29-52(97)98)83-60(101)35(5)77-49(92)32-88(7)69(54)110/h13-14,18-19,30,33-36,40-45,53-58,75,99H,9-12,15-17,20-29,31-32,72H2,1-8H3,(H2,73,89)(H2,74,100)(H,76,108)(H,77,92)(H,78,90)(H,79,91)(H,80,107)(H,81,105)(H,82,106)(H,83,101)(H,84,103)(H,85,109)(H,86,104)(H,87,102)(H,93,94)(H,95,96)(H,97,98)(H,111,112)/t35-,36+,40+,41-,42+,43-,44+,45-,53-,54-,55-,56-,57+,58+/m0/s1 |
| SMILES | CC(C)CCCCCCC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@@H](C)OC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([C@@H](CC(N)=O)NC(CNC([C@H]([C@@H](OC)C(O)=O)NC([C@@H](CCCCN)NC([C@H](CC(O)=O)NC([C@H](C)NC(CN(C)C1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@@H](O)C(N)=O)=O)CCC(O)=O)=O)CC2=CNC3=CC=CC=C32)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fukuda, DS; Du Bus, RH; Baker, PJ; Berry, DM; Mynderse, JS A54145, a new lipopeptide antibiotic complex: isolation and characterization Journal of Antibiotics 1990 43 (6) 564-600. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.594 | PMID | 2380107 |
